N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide

C12H15ClN2O4 — CID 7292715

IUPACN'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1cccc(Cl)c1)OC
InChIInChI=1S/C12H15ClN2O4/c1-18-10(19-2)7-14-11(16)12(17)15-9-5-3-4-8(13)6-9/h3-6,10H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySVFQJIAIAOPQMM-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.01
Rot. Bonds5

About N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide

N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide (PubChem CID 7292715) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
PubChem CID7292715
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC NameN'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1cccc(Cl)c1)OC
InChIInChI=1S/C12H15ClN2O4/c1-18-10(19-2)7-14-11(16)12(17)15-9-5-3-4-8(13)6-9/h3-6,10H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySVFQJIAIAOPQMM-UHFFFAOYSA-N
XLogP1.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530034
1-(3-chlorophenyl)-3-(2,2-dimethoxyethyl)thiourea
CID 881612
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-(4-chloro-3-nitrophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108512803
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 4297035
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 3358290
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501064
N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496385
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
2-[[2-(3-chloroanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 7292713

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide (CID 7292715) is N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(=O)Nc1cccc(Cl)c1)OC.
What is the InChIKey of N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The InChIKey is SVFQJIAIAOPQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-18-10(19-2)7-14-11(16)12(17)15-9-5-3-4-8(13)6-9/h3-6,10H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide has a molecular weight of 286.72 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 7292715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).